SCHEMBL4897625

SCHEMBL4897625

Cc1cc(S(=O)(=O)NCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
AKR1C3 P42330 4/20 0.45
ACLY P53396 2/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
ERBB2 P04626 2/20 0.42
ERBB4 Q15303 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4906290 0.91 LTA4H (0.47) AKR1C3HTTPKMMAPK1ERBB2
SCHEMBL4895638 0.90 ERBB2 (0.44) AKR1C3HTTPKMMAPK1ERBB2
SCHEMBL4903705 0.88 LMNA (0.53) KDM1AAKR1C3ACLYHTTPKM
SCHEMBL4897713 0.88 ERBB2 (0.49) AKR1C3ERBB2ERBB4ALDH1A1
SCHEMBL4897453 0.88 AKR1C3 (0.46) AKR1C3ERBB2ERBB4ALDH1A1MEN1
SCHEMBL4895286 0.84 MAPT (0.42) KDM1AHTTALDH1A1MEN1KMT2A
SCHEMBL4911898 0.83 PPARG (0.44) KDM1AACLYHTTALDH1A1MEN1
SCHEMBL28776086 0.82 AKR1C3 (0.50) AKR1C3HTTPKMMAPK1ALDH1A1
SCHEMBL4906408 0.82 ALDH1A1 (0.44) AKR1C3HTTPKMMAPK1ERBB2
SCHEMBL4904440 0.82 LTA4H (0.47) AKR1C3ALDH1A1MEN1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD KDM1A 4595/4885AKR1C3 1604/4885ACLY 589/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD KDM1A 4634/4885AKR1C3 1645/4885ACLY 563/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD KDM1A 4634/4885AKR1C3 1645/4885ACLY 563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.